| Reaction Details |
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 | Report a problem with these data |
| Target | Methionine--tRNA ligase |
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| Ligand | BDBM95766 |
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| Substrate/Competitor | n/a |
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| IC50 | 1837±n/a nM |
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| Citation |  PubChem, PC Luminescence-based biochemical high throughput dose response assay for inhibitors of Trypanosoma brucei methionyl tRNA synthetase (MetRS) PubChem Bioassay(2013)[AID] |
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| More Info.: | Get all data from this article |
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| Methionine--tRNA ligase |
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| Name: | Methionine--tRNA ligase |
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| Synonyms: | methionyl-tRNA synthetase |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 86905.45 |
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| Organism: | Trypanosoma brucei brucei strain 927/4 GUTat10.1 |
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| Description: | gi_71746704 |
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| Residue: | 773 |
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| Sequence: | MALKLLSEKANSQALKVLLCSYYVKRPVEVSLSGAYATPILHHPAFKQPIIAPNEMARVI
LFYSVEPTSNNGGAADSSNGDGTASPVAGLTNLTLEHETWLEWEATTFTRAVHPLYTQRR
QTAESLAVFSYLDKKISENDDRCVYSPAVEGKGAADPTDAVSTFFIDCIVWCAVLPALCE
SGVLRDSEKQQLPHLVKWFNTFQKEQKTLIDNAFENLSVQEAADFLRCPRVYKVSAKVEK
VFFVTSPIYYVNAAPHIGHVYSTLITDVIGRYHRVKGERVFALTGTDEHGQKVAEAAKQK
QVSPYDFTAAVAGEFKKCFEQMDYSIDYFIRTTNEQHKAVVKELWTKLEQKGDIYLGRYE
GWYSISDESFLTPQNITDGVDKDGNPCKVSLESGHVVTWVSEENYMFRLSAFRERLLEWY
HANPGCIVPEFRRREVIRAVEKGLPDLSVSRKKETLHNWAIPVPGNPDHCVYVWLDALTN
YLTGSRLRVDESGKEVSLADDFSELERFPADVHVIGKDILKFHAIYWPAFLLSAGLPLPK
KIVAHGWWTKDRKKISKSLGNVFDPVEKAEEFGYDALKYFLLRESGFSDDGDYSDKNMIA
RLNGELADTLGNLVMRCTSAKINVNGEWPSPAAYTEEDESLIQLIKDLPGTADHYYLIPD
IQKAIIAVFDVLRAINAYVTDMAPWKLVKTDPERLRTVLYITLEGVRVTTLLLSPILPRK
SVVIFDMLGVPEVHRKGIENFEFGAVPPGTRLGPAVEGEVLFSKRSTENTKST
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| BDBM95766 |
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| n/a |
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| Name | BDBM95766 |
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| Synonyms: | (2R,4R)-N-(1H-benzimidazol-2-ylmethyl)-4-(1,3-benzodioxol-5-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide | (2R,4R)-N-(1H-benzimidazol-2-ylmethyl)-4-(1,3-benzodioxol-5-yl)-2-(4-oxidanylbutoxy)-3,4-dihydro-2H-pyran-6-carboxamide | MLS000834563 | SMR000442091 | cid_6669591 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H27N3O6 |
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| Mol. Mass. | 465.4984 |
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| SMILES | OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc1nc2ccccc2[nH]1)c1ccc2OCOc2c1 |c:9| |
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| Structure | 
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